# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2014

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
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# 
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#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_I
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C27 H35 N O Si'
_chemical_formula_iupac          ?
_chemical_formula_weight         417.65

_chemical_melting_point          ?

_space_group_crystal_system      monoclinic
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   11.5690(11)
_cell_length_b                   9.0333(9)
_cell_length_c                   46.939(5)
_cell_angle_alpha                90
_cell_angle_beta                 95.9944(13)
_cell_angle_gamma                90
_cell_volume                     4878.6(8)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    6574
_cell_measurement_theta_min      3.0740
_cell_measurement_theta_max      25.3286
_cell_measurement_temperature    103.(2)

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.390
_exptl_crystal_size_min          0.120
_exptl_crystal_density_diffrn    1.137
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1808

_exptl_absorpt_coefficient_mu    0.114
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2012/1 (Bruker AXS Inc.)'
_exptl_absorpt_correction_T_min  0.84
_exptl_absorpt_correction_T_max  0.99

_exptl_special_details           
;
;

_diffrn_ambient_temperature      103.(2)

_diffrn_source                   ?
_diffrn_source_type              ?

_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073

_diffrn_radiation_monochromator  graphite

_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'

_diffrn_detector_area_resol_mean 8.3333

_diffrn_reflns_number            31196
_diffrn_reflns_av_R_equivalents  0.0389
_diffrn_reflns_av_sigmaI/netI    ?
_diffrn_reflns_theta_min         3.07
_diffrn_reflns_theta_max         25.38
_diffrn_reflns_theta_full        25.38
_diffrn_measured_fraction_theta_max 0.970
_diffrn_measured_fraction_theta_full 0.970
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -56
_diffrn_reflns_limit_l_max       54

_refine_special_details          
;
;

_reflns_number_total             8673
_reflns_number_gt                7084
_reflns_threshold_expression     'I > 2σ(I)'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.0587
_refine_ls_R_factor_gt           0.0458
_refine_ls_wR_factor_gt          0.1005
_refine_ls_wR_factor_ref         0.1069
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_restrained_S_all      1.021
_refine_ls_number_reflns         8673
_refine_ls_number_parameters     555
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment    constr
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0406P)²+3.0763P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?

_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         0.439
_refine_diff_density_min         -0.318
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'SAINT V8.32B (Bruker AXS Inc., 2013)'
_computing_data_reduction        'SAINT V8.32B (Bruker AXS Inc., 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C C1 -0.17640(15) 0.4763(2) 0.30068(4) 0.0240(4) Uani d . . . 1 . .
H H1 -0.1358 0.3912 0.2952 0.029 Uiso calc U . R 1 . .
C C2 -0.22194(16) 0.4778(2) 0.32686(4) 0.0255(5) Uani d . . . 1 . .
H H2 -0.2123 0.3941 0.3391 0.031 Uiso calc U . R 1 . .
C C3 -0.28142(16) 0.6009(2) 0.33513(4) 0.0254(5) Uani d . . . 1 . .
H H3 -0.3129 0.6017 0.353 0.03 Uiso calc U . R 1 . .
C C4 -0.29483(15) 0.7227(2) 0.31723(4) 0.0246(5) Uani d . . . 1 . .
H H4 -0.3352 0.8076 0.3229 0.03 Uiso calc U . R 1 . .
C C5 -0.24941(15) 0.7210(2) 0.29107(4) 0.0226(4) Uani d . . . 1 . .
H H5 -0.2592 0.8052 0.2789 0.027 Uiso calc U . R 1 . .
C C6 -0.18921(14) 0.5975(2) 0.28219(4) 0.0201(4) Uani d . . . 1 . .
C C7 -0.14091(15) 0.5969(2) 0.25413(4) 0.0201(4) Uani d . . . 1 . .
C C8 -0.04795(15) 0.5041(2) 0.24910(4) 0.0241(4) Uani d . . . 1 . .
H H8 -0.0152 0.4407 0.264 0.029 Uiso calc U . R 1 . .
C C9 -0.00336(15) 0.5032(2) 0.22307(4) 0.0242(5) Uani d . . . 1 . .
H H9 0.0586 0.4377 0.2202 0.029 Uiso calc U . R 1 . .
C C10 -0.04735(15) 0.5965(2) 0.20083(4) 0.0198(4) Uani d . . . 1 . .
C C11 -0.14119(15) 0.6875(2) 0.20565(4) 0.0204(4) Uani d . . . 1 . .
H H11 -0.174 0.7508 0.1908 0.025 Uiso calc U . R 1 . .
C C12 -0.18682(15) 0.6870(2) 0.23156(4) 0.0212(4) Uani d . . . 1 . .
H H12 -0.2511 0.7493 0.2341 0.025 Uiso calc U . R 1 . .
C C13 0.00367(15) 0.6023(2) 0.17351(4) 0.0196(4) Uani d . . . 1 . .
C C14 -0.16943(15) 0.5795(2) 0.13961(4) 0.0208(4) Uani d . . . 1 . .
C C15 -0.23727(17) 0.6495(2) 0.11423(4) 0.0301(5) Uani d . . . 1 . .
H H15A -0.2236 0.595 0.0968 0.045 Uiso calc U . R 1 . .
H H15B -0.2123 0.7525 0.1125 0.045 Uiso calc U . R 1 . .
H H15C -0.3203 0.6469 0.1167 0.045 Uiso calc U . R 1 . .
C C16 0.11631(15) 0.5739(2) 0.17086(4) 0.0219(4) Uani d . . . 1 . .
H H16 0.1654 0.5512 0.1878 0.026 Uiso calc U . R 1 . .
C C17 0.16707(15) 0.5755(2) 0.14452(4) 0.0220(4) Uani d . . . 1 . .
C C18 0.21353(15) 0.5754(2) 0.12269(5) 0.0234(4) Uani d . . . 1 . .
C C19 0.16905(16) 0.6008(2) 0.05802(4) 0.0265(5) Uani d . . . 1 . .
H H19 0.1704 0.7095 0.054 0.032 Uiso calc U . R 1 . .
C C20 0.04500(16) 0.5625(3) 0.06438(5) 0.0358(5) Uani d . . . 1 . .
H H20A -0.0097 0.5861 0.0476 0.054 Uiso calc U . R 1 . .
H H20B 0.0252 0.6203 0.0809 0.054 Uiso calc U . R 1 . .
H H20C 0.0403 0.4567 0.0687 0.054 Uiso calc U . R 1 . .
C C21 0.19843(19) 0.5217(3) 0.03074(5) 0.0362(5) Uani d . . . 1 . .
H H21A 0.1981 0.4144 0.0338 0.054 Uiso calc U . R 1 . .
H H21B 0.2756 0.5529 0.0262 0.054 Uiso calc U . R 1 . .
H H21C 0.1404 0.5474 0.0148 0.054 Uiso calc U . R 1 . .
C C22 0.40165(15) 0.7086(2) 0.09124(4) 0.0222(4) Uani d . . . 1 . .
H H22 0.4565 0.6858 0.1086 0.027 Uiso calc U . R 1 . .
C C23 0.47186(17) 0.7027(2) 0.06534(5) 0.0308(5) Uani d . . . 1 . .
H H23A 0.421 0.7261 0.0479 0.046 Uiso calc U . R 1 . .
H H23B 0.5043 0.6032 0.0637 0.046 Uiso calc U . R 1 . .
H H23C 0.5352 0.775 0.0678 0.046 Uiso calc U . R 1 . .
C C24 0.35508(17) 0.8651(2) 0.09513(5) 0.0313(5) Uani d . . . 1 . .
H H24A 0.42 0.9353 0.0972 0.047 Uiso calc U . R 1 . .
H H24B 0.314 0.8684 0.1123 0.047 Uiso calc U . R 1 . .
H H24C 0.3015 0.8919 0.0784 0.047 Uiso calc U . R 1 . .
C C25 0.34624(15) 0.3746(2) 0.08701(4) 0.0213(4) Uani d . . . 1 . .
H H25 0.3758 0.3654 0.0678 0.026 Uiso calc U . R 1 . .
C C26 0.44924(16) 0.3467(2) 0.10977(5) 0.0284(5) Uani d . . . 1 . .
H H26A 0.4235 0.3576 0.1289 0.043 Uiso calc U . R 1 . .
H H26B 0.5109 0.4186 0.1074 0.043 Uiso calc U . R 1 . .
H H26C 0.479 0.2463 0.1076 0.043 Uiso calc U . R 1 . .
C C27 0.25294(17) 0.2552(2) 0.08878(5) 0.0291(5) Uani d . . . 1 . .
H H27A 0.2874 0.1572 0.0866 0.044 Uiso calc U . R 1 . .
H H27B 0.1899 0.2707 0.0734 0.044 Uiso calc U . R 1 . .
H H27C 0.2219 0.2613 0.1074 0.044 Uiso calc U . R 1 . .
C C28 0.53115(16) 0.4615(2) 0.22544(4) 0.0252(5) Uani d . . . 1 . .
H H28 0.5614 0.3927 0.2396 0.03 Uiso calc U . R 1 . .
C C29 0.57615(17) 0.4656(2) 0.19935(4) 0.0292(5) Uani d . . . 1 . .
H H29 0.6377 0.4007 0.1958 0.035 Uiso calc U . R 1 . .
C C30 0.53257(17) 0.5630(2) 0.17839(4) 0.0293(5) Uani d . . . 1 . .
H H30 0.564 0.5657 0.1605 0.035 Uiso calc U . R 1 . .
C C31 0.44262(17) 0.6571(2) 0.18353(4) 0.0288(5) Uani d . . . 1 . .
H H31 0.4114 0.7235 0.169 0.035 Uiso calc U . R 1 . .
C C32 0.39819(16) 0.6545(2) 0.20977(4) 0.0240(4) Uani d . . . 1 . .
H H32 0.337 0.7202 0.2132 0.029 Uiso calc U . R 1 . .
C C33 0.44153(15) 0.5574(2) 0.23127(4) 0.0202(4) Uani d . . . 1 . .
C C34 0.39754(15) 0.5574(2) 0.25990(4) 0.0194(4) Uani d . . . 1 . .
C C35 0.47169(15) 0.5227(2) 0.28432(4) 0.0236(4) Uani d . . . 1 . .
H H35 0.55 0.4965 0.2824 0.028 Uiso calc U . R 1 . .
C C36 0.43467(15) 0.5254(2) 0.31100(4) 0.0238(4) Uani d . . . 1 . .
H H36 0.488 0.5015 0.3271 0.029 Uiso calc U . R 1 . .
C C37 0.32021(15) 0.5625(2) 0.31521(4) 0.0182(4) Uani d . . . 1 . .
C C38 0.24570(15) 0.5985(2) 0.29091(4) 0.0227(4) Uani d . . . 1 . .
H H38 0.1675 0.6251 0.293 0.027 Uiso calc U . R 1 . .
C C39 0.28319(15) 0.5961(2) 0.26396(4) 0.0224(4) Uani d . . . 1 . .
H H39 0.2303 0.6213 0.2478 0.027 Uiso calc U . R 1 . .
C C40 0.28313(14) 0.5660(2) 0.34423(4) 0.0186(4) Uani d . . . 1 . .
C C41 0.08740(15) 0.5933(2) 0.35917(4) 0.0207(4) Uani d . . . 1 . .
C C42 -0.00168(16) 0.7075(2) 0.36496(5) 0.0284(5) Uani d . . . 1 . .
H H42A -0.0448 0.7382 0.3468 0.043 Uiso calc U . R 1 . .
H H42B 0.0373 0.7937 0.3743 0.043 Uiso calc U . R 1 . .
H H42C -0.0557 0.6652 0.3775 0.043 Uiso calc U . R 1 . .
C C43 0.34115(15) 0.4987(2) 0.36698(4) 0.0212(4) Uani d . . . 1 . .
H H43 0.4038 0.435 0.3638 0.025 Uiso calc U . R 1 . .
C C44 0.31372(15) 0.5177(2) 0.39547(4) 0.0203(4) Uani d . . . 1 . .
C C45 0.29014(15) 0.5353(2) 0.41978(4) 0.0213(4) Uani d . . . 1 . .
C C46 0.08091(15) 0.6107(2) 0.44883(4) 0.0226(4) Uani d . . . 1 . .
H H46 0.068 0.6849 0.433 0.027 Uiso calc U . R 1 . .
C C47 0.03122(16) 0.6807(2) 0.47463(5) 0.0304(5) Uani d . . . 1 . .
H H47A -0.0522 0.6984 0.47 0.046 Uiso calc U . R 1 . .
H H47B 0.0707 0.7749 0.4794 0.046 Uiso calc U . R 1 . .
H H47C 0.0433 0.6136 0.4911 0.046 Uiso calc U . R 1 . .
C C48 0.01156(17) 0.4733(2) 0.43835(5) 0.0320(5) Uani d . . . 1 . .
H H48A 0.0138 0.4004 0.4539 0.048 Uiso calc U . R 1 . .
H H48B 0.0457 0.4301 0.422 0.048 Uiso calc U . R 1 . .
H H48C -0.0692 0.5013 0.4325 0.048 Uiso calc U . R 1 . .
C C49 0.29744(16) 0.4343(2) 0.48109(4) 0.0244(4) Uani d . . . 1 . .
H H49 0.383 0.4272 0.4798 0.029 Uiso calc U . R 1 . .
C C50 0.2492(2) 0.2800(2) 0.47412(5) 0.0356(5) Uani d . . . 1 . .
H H50A 0.2953 0.2066 0.4858 0.053 Uiso calc U . R 1 . .
H H50B 0.2533 0.2589 0.4538 0.053 Uiso calc U . R 1 . .
H H50C 0.1681 0.2752 0.4784 0.053 Uiso calc U . R 1 . .
C C51 0.28440(17) 0.4739(3) 0.51232(4) 0.0310(5) Uani d . . . 1 . .
H H51A 0.2017 0.4826 0.5149 0.046 Uiso calc U . R 1 . .
H H51B 0.3233 0.5684 0.5171 0.046 Uiso calc U . R 1 . .
H H51C 0.3198 0.3962 0.5249 0.046 Uiso calc U . R 1 . .
C C52 0.31414(15) 0.7631(2) 0.46613(4) 0.0250(5) Uani d . . . 1 . .
H H52 0.2853 0.7928 0.4847 0.03 Uiso calc U . R 1 . .
C C53 0.44711(17) 0.7502(3) 0.47127(5) 0.0358(5) Uani d . . . 1 . .
H H53A 0.4775 0.7164 0.4537 0.054 Uiso calc U . R 1 . .
H H53B 0.4681 0.6789 0.4867 0.054 Uiso calc U . R 1 . .
H H53C 0.4804 0.8471 0.4767 0.054 Uiso calc U . R 1 . .
C C54 0.28005(18) 0.8851(2) 0.44436(5) 0.0364(6) Uani d . . . 1 . .
H H54A 0.3173 0.9782 0.451 0.055 Uiso calc U . R 1 . .
H H54B 0.1954 0.8976 0.4423 0.055 Uiso calc U . R 1 . .
H H54C 0.3056 0.8579 0.4258 0.055 Uiso calc U . R 1 . .
N N1 -0.06938(12) 0.65003(17) 0.14899(3) 0.0202(4) Uani d . . . 1 . .
H H1A -0.0488 0.7283 0.1396 0.024 Uiso calc U . R 1 . .
N N2 0.18217(12) 0.64955(17) 0.34801(3) 0.0194(3) Uani d . . . 1 . .
H H2A 0.1806 0.7432 0.3428 0.023 Uiso calc U . R 1 . .
O O1 -0.20049(11) 0.46517(15) 0.15060(3) 0.0280(3) Uani d . . . 1 . .
O O2 0.07463(11) 0.46165(15) 0.36377(3) 0.0286(3) Uani d . . . 1 . .
Si Si1 0.28300(4) 0.56494(6) 0.08926(2) 0.01865(13) Uani d . . . 1 . .
Si Si2 0.24334(4) 0.58210(6) 0.45484(2) 0.01907(13) Uani d . . . 1 . .


_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix.  The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry.  An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
C1 C2 . 1.387(3) ?
C1 C6 . 1.396(3) ?
C1 H1 . 0.95 ?
C2 C3 . 1.385(3) ?
C2 H2 . 0.95 ?
C3 C4 . 1.383(3) ?
C3 H3 . 0.95 ?
C4 C5 . 1.385(3) ?
C4 H4 . 0.95 ?
C5 C6 . 1.402(3) ?
C5 H5 . 0.95 ?
C6 C7 . 1.483(3) ?
C7 C12 . 1.396(3) ?
C7 C8 . 1.403(3) ?
C8 C9 . 1.375(3) ?
C8 H8 . 0.95 ?
C9 C10 . 1.396(3) ?
C9 H9 . 0.95 ?
C10 C11 . 1.399(2) ?
C10 C13 . 1.467(3) ?
C11 C12 . 1.375(3) ?
C11 H11 . 0.95 ?
C12 H12 . 0.95 ?
C13 C16 . 1.347(2) ?
C13 N1 . 1.422(2) ?
C14 O1 . 1.225(2) ?
C14 N1 . 1.354(2) ?
C14 C15 . 1.497(3) ?
C15 H15A . 0.98 ?
C15 H15B . 0.98 ?
C15 H15C . 0.98 ?
C16 C17 . 1.423(3) ?
C16 H16 . 0.95 ?
C17 C18 . 1.206(3) ?
C18 Si1 . 1.839(2) ?
C19 C21 . 1.535(3) ?
C19 C20 . 1.536(3) ?
C19 Si1 . 1.895(2) ?
C19 H19 . 1.0 ?
C20 H20A . 0.98 ?
C20 H20B . 0.98 ?
C20 H20C . 0.98 ?
C21 H21A . 0.98 ?
C21 H21B . 0.98 ?
C21 H21C . 0.98 ?
C22 C24 . 1.531(3) ?
C22 C23 . 1.532(3) ?
C22 Si1 . 1.8843(19) ?
C22 H22 . 1.0 ?
C23 H23A . 0.98 ?
C23 H23B . 0.98 ?
C23 H23C . 0.98 ?
C24 H24A . 0.98 ?
C24 H24B . 0.98 ?
C24 H24C . 0.98 ?
C25 C27 . 1.535(3) ?
C25 C26 . 1.536(3) ?
C25 Si1 . 1.8758(19) ?
C25 H25 . 1.0 ?
C26 H26A . 0.98 ?
C26 H26B . 0.98 ?
C26 H26C . 0.98 ?
C27 H27A . 0.98 ?
C27 H27B . 0.98 ?
C27 H27C . 0.98 ?
C28 C29 . 1.380(3) ?
C28 C33 . 1.400(3) ?
C28 H28 . 0.95 ?
C29 C30 . 1.376(3) ?
C29 H29 . 0.95 ?
C30 C31 . 1.384(3) ?
C30 H30 . 0.95 ?
C31 C32 . 1.383(3) ?
C31 H31 . 0.95 ?
C32 C33 . 1.390(3) ?
C32 H32 . 0.95 ?
C33 C34 . 1.486(3) ?
C34 C35 . 1.394(3) ?
C34 C39 . 1.401(2) ?
C35 C36 . 1.365(3) ?
C35 H35 . 0.95 ?
C36 C37 . 1.400(2) ?
C36 H36 . 0.95 ?
C37 C38 . 1.394(3) ?
C37 C40 . 1.470(3) ?
C38 C39 . 1.380(3) ?
C38 H38 . 0.95 ?
C39 H39 . 0.95 ?
C40 C43 . 1.346(3) ?
C40 N2 . 1.417(2) ?
C41 O2 . 1.221(2) ?
C41 N2 . 1.362(2) ?
C41 C42 . 1.503(3) ?
C42 H42A . 0.98 ?
C42 H42B . 0.98 ?
C42 H42C . 0.98 ?
C43 C44 . 1.417(3) ?
C43 H43 . 0.95 ?
C44 C45 . 1.211(3) ?
C45 Si2 . 1.834(2) ?
C46 C47 . 1.530(3) ?
C46 C48 . 1.531(3) ?
C46 Si2 . 1.8887(18) ?
C46 H46 . 1.0 ?
C47 H47A . 0.98 ?
C47 H47B . 0.98 ?
C47 H47C . 0.98 ?
C48 H48A . 0.98 ?
C48 H48B . 0.98 ?
C48 H48C . 0.98 ?
C49 C50 . 1.525(3) ?
C49 C51 . 1.532(3) ?
C49 Si2 . 1.879(2) ?
C49 H49 . 1.0 ?
C50 H50A . 0.98 ?
C50 H50B . 0.98 ?
C50 H50C . 0.98 ?
C51 H51A . 0.98 ?
C51 H51B . 0.98 ?
C51 H51C . 0.98 ?
C52 C54 . 1.526(3) ?
C52 C53 . 1.536(3) ?
C52 Si2 . 1.880(2) ?
C52 H52 . 1.0 ?
C53 H53A . 0.98 ?
C53 H53B . 0.98 ?
C53 H53C . 0.98 ?
C54 H54A . 0.98 ?
C54 H54B . 0.98 ?
C54 H54C . 0.98 ?
N1 H1A . 0.88 ?
N2 H2A . 0.88 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C2 C1 C6 . . 121.19(19) ?
C2 C1 H1 . . 119.4 ?
C6 C1 H1 . . 119.4 ?
C3 C2 C1 . . 120.13(19) ?
C3 C2 H2 . . 119.9 ?
C1 C2 H2 . . 119.9 ?
C4 C3 C2 . . 119.77(19) ?
C4 C3 H3 . . 120.1 ?
C2 C3 H3 . . 120.1 ?
C3 C4 C5 . . 120.04(19) ?
C3 C4 H4 . . 120.0 ?
C5 C4 H4 . . 120.0 ?
C4 C5 C6 . . 121.24(19) ?
C4 C5 H5 . . 119.4 ?
C6 C5 H5 . . 119.4 ?
C1 C6 C5 . . 117.63(18) ?
C1 C6 C7 . . 121.60(17) ?
C5 C6 C7 . . 120.77(17) ?
C12 C7 C8 . . 117.26(17) ?
C12 C7 C6 . . 121.55(16) ?
C8 C7 C6 . . 121.19(17) ?
C9 C8 C7 . . 121.23(18) ?
C9 C8 H8 . . 119.4 ?
C7 C8 H8 . . 119.4 ?
C8 C9 C10 . . 121.28(17) ?
C8 C9 H9 . . 119.4 ?
C10 C9 H9 . . 119.4 ?
C9 C10 C11 . . 117.54(17) ?
C9 C10 C13 . . 121.76(16) ?
C11 C10 C13 . . 120.69(17) ?
C12 C11 C10 . . 121.14(18) ?
C12 C11 H11 . . 119.4 ?
C10 C11 H11 . . 119.4 ?
C11 C12 C7 . . 121.50(17) ?
C11 C12 H12 . . 119.3 ?
C7 C12 H12 . . 119.3 ?
C16 C13 N1 . . 118.83(17) ?
C16 C13 C10 . . 123.73(17) ?
N1 C13 C10 . . 117.31(15) ?
O1 C14 N1 . . 122.57(18) ?
O1 C14 C15 . . 122.62(17) ?
N1 C14 C15 . . 114.78(17) ?
C14 C15 H15A . . 109.5 ?
C14 C15 H15B . . 109.5 ?
H15A C15 H15B . . 109.5 ?
C14 C15 H15C . . 109.5 ?
H15A C15 H15C . . 109.5 ?
H15B C15 H15C . . 109.5 ?
C13 C16 C17 . . 124.71(18) ?
C13 C16 H16 . . 117.6 ?
C17 C16 H16 . . 117.6 ?
C18 C17 C16 . . 177.8(2) ?
C17 C18 Si1 . . 177.07(18) ?
C21 C19 C20 . . 110.49(17) ?
C21 C19 Si1 . . 111.66(13) ?
C20 C19 Si1 . . 113.58(15) ?
C21 C19 H19 . . 106.9 ?
C20 C19 H19 . . 106.9 ?
Si1 C19 H19 . . 106.9 ?
C19 C20 H20A . . 109.5 ?
C19 C20 H20B . . 109.5 ?
H20A C20 H20B . . 109.5 ?
C19 C20 H20C . . 109.5 ?
H20A C20 H20C . . 109.5 ?
H20B C20 H20C . . 109.5 ?
C19 C21 H21A . . 109.5 ?
C19 C21 H21B . . 109.5 ?
H21A C21 H21B . . 109.5 ?
C19 C21 H21C . . 109.5 ?
H21A C21 H21C . . 109.5 ?
H21B C21 H21C . . 109.5 ?
C24 C22 C23 . . 110.45(17) ?
C24 C22 Si1 . . 112.24(12) ?
C23 C22 Si1 . . 112.37(14) ?
C24 C22 H22 . . 107.2 ?
C23 C22 H22 . . 107.2 ?
Si1 C22 H22 . . 107.2 ?
C22 C23 H23A . . 109.5 ?
C22 C23 H23B . . 109.5 ?
H23A C23 H23B . . 109.5 ?
C22 C23 H23C . . 109.5 ?
H23A C23 H23C . . 109.5 ?
H23B C23 H23C . . 109.5 ?
C22 C24 H24A . . 109.5 ?
C22 C24 H24B . . 109.5 ?
H24A C24 H24B . . 109.5 ?
C22 C24 H24C . . 109.5 ?
H24A C24 H24C . . 109.5 ?
H24B C24 H24C . . 109.5 ?
C27 C25 C26 . . 110.26(16) ?
C27 C25 Si1 . . 111.15(13) ?
C26 C25 Si1 . . 112.95(14) ?
C27 C25 H25 . . 107.4 ?
C26 C25 H25 . . 107.4 ?
Si1 C25 H25 . . 107.4 ?
C25 C26 H26A . . 109.5 ?
C25 C26 H26B . . 109.5 ?
H26A C26 H26B . . 109.5 ?
C25 C26 H26C . . 109.5 ?
H26A C26 H26C . . 109.5 ?
H26B C26 H26C . . 109.5 ?
C25 C27 H27A . . 109.5 ?
C25 C27 H27B . . 109.5 ?
H27A C27 H27B . . 109.5 ?
C25 C27 H27C . . 109.5 ?
H27A C27 H27C . . 109.5 ?
H27B C27 H27C . . 109.5 ?
C29 C28 C33 . . 120.83(19) ?
C29 C28 H28 . . 119.6 ?
C33 C28 H28 . . 119.6 ?
C30 C29 C28 . . 120.50(19) ?
C30 C29 H29 . . 119.7 ?
C28 C29 H29 . . 119.7 ?
C29 C30 C31 . . 119.61(19) ?
C29 C30 H30 . . 120.2 ?
C31 C30 H30 . . 120.2 ?
C32 C31 C30 . . 120.05(19) ?
C32 C31 H31 . . 120.0 ?
C30 C31 H31 . . 120.0 ?
C31 C32 C33 . . 121.16(18) ?
C31 C32 H32 . . 119.4 ?
C33 C32 H32 . . 119.4 ?
C32 C33 C28 . . 117.83(18) ?
C32 C33 C34 . . 121.65(17) ?
C28 C33 C34 . . 120.50(17) ?
C35 C34 C39 . . 116.94(17) ?
C35 C34 C33 . . 120.28(16) ?
C39 C34 C33 . . 122.75(16) ?
C36 C35 C34 . . 121.68(17) ?
C36 C35 H35 . . 119.2 ?
C34 C35 H35 . . 119.2 ?
C35 C36 C37 . . 121.72(17) ?
C35 C36 H36 . . 119.1 ?
C37 C36 H36 . . 119.1 ?
C38 C37 C36 . . 116.96(17) ?
C38 C37 C40 . . 122.52(16) ?
C36 C37 C40 . . 120.51(16) ?
C39 C38 C37 . . 121.32(17) ?
C39 C38 H38 . . 119.3 ?
C37 C38 H38 . . 119.3 ?
C38 C39 C34 . . 121.37(17) ?
C38 C39 H39 . . 119.3 ?
C34 C39 H39 . . 119.3 ?
C43 C40 N2 . . 119.38(17) ?
C43 C40 C37 . . 123.77(16) ?
N2 C40 C37 . . 116.82(15) ?
O2 C41 N2 . . 123.27(17) ?
O2 C41 C42 . . 122.61(17) ?
N2 C41 C42 . . 114.11(17) ?
C41 C42 H42A . . 109.5 ?
C41 C42 H42B . . 109.5 ?
H42A C42 H42B . . 109.5 ?
C41 C42 H42C . . 109.5 ?
H42A C42 H42C . . 109.5 ?
H42B C42 H42C . . 109.5 ?
C40 C43 C44 . . 123.49(17) ?
C40 C43 H43 . . 118.3 ?
C44 C43 H43 . . 118.3 ?
C45 C44 C43 . . 179.4(2) ?
C44 C45 Si2 . . 172.75(17) ?
C47 C46 C48 . . 111.20(16) ?
C47 C46 Si2 . . 112.86(13) ?
C48 C46 Si2 . . 114.63(13) ?
C47 C46 H46 . . 105.8 ?
C48 C46 H46 . . 105.8 ?
Si2 C46 H46 . . 105.8 ?
C46 C47 H47A . . 109.5 ?
C46 C47 H47B . . 109.5 ?
H47A C47 H47B . . 109.5 ?
C46 C47 H47C . . 109.5 ?
H47A C47 H47C . . 109.5 ?
H47B C47 H47C . . 109.5 ?
C46 C48 H48A . . 109.5 ?
C46 C48 H48B . . 109.5 ?
H48A C48 H48B . . 109.5 ?
C46 C48 H48C . . 109.5 ?
H48A C48 H48C . . 109.5 ?
H48B C48 H48C . . 109.5 ?
C50 C49 C51 . . 110.40(17) ?
C50 C49 Si2 . . 114.81(14) ?
C51 C49 Si2 . . 113.73(14) ?
C50 C49 H49 . . 105.7 ?
C51 C49 H49 . . 105.7 ?
Si2 C49 H49 . . 105.7 ?
C49 C50 H50A . . 109.5 ?
C49 C50 H50B . . 109.5 ?
H50A C50 H50B . . 109.5 ?
C49 C50 H50C . . 109.5 ?
H50A C50 H50C . . 109.5 ?
H50B C50 H50C . . 109.5 ?
C49 C51 H51A . . 109.5 ?
C49 C51 H51B . . 109.5 ?
H51A C51 H51B . . 109.5 ?
C49 C51 H51C . . 109.5 ?
H51A C51 H51C . . 109.5 ?
H51B C51 H51C . . 109.5 ?
C54 C52 C53 . . 110.15(17) ?
C54 C52 Si2 . . 111.39(14) ?
C53 C52 Si2 . . 112.19(14) ?
C54 C52 H52 . . 107.6 ?
C53 C52 H52 . . 107.6 ?
Si2 C52 H52 . . 107.6 ?
C52 C53 H53A . . 109.5 ?
C52 C53 H53B . . 109.5 ?
H53A C53 H53B . . 109.5 ?
C52 C53 H53C . . 109.5 ?
H53A C53 H53C . . 109.5 ?
H53B C53 H53C . . 109.5 ?
C52 C54 H54A . . 109.5 ?
C52 C54 H54B . . 109.5 ?
H54A C54 H54B . . 109.5 ?
C52 C54 H54C . . 109.5 ?
H54A C54 H54C . . 109.5 ?
H54B C54 H54C . . 109.5 ?
C14 N1 C13 . . 122.43(16) ?
C14 N1 H1A . . 118.8 ?
C13 N1 H1A . . 118.8 ?
C41 N2 C40 . . 123.82(16) ?
C41 N2 H2A . . 118.1 ?
C40 N2 H2A . . 118.1 ?
C18 Si1 C25 . . 107.62(9) ?
C18 Si1 C22 . . 107.68(9) ?
C25 Si1 C22 . . 110.35(8) ?
C18 Si1 C19 . . 108.72(9) ?
C25 Si1 C19 . . 110.93(9) ?
C22 Si1 C19 . . 111.40(9) ?
C45 Si2 C49 . . 108.38(9) ?
C45 Si2 C52 . . 107.00(9) ?
C49 Si2 C52 . . 109.12(9) ?
C45 Si2 C46 . . 106.25(9) ?
C49 Si2 C46 . . 116.95(9) ?
C52 Si2 C46 . . 108.68(9) ?

_database_code_depnum_ccdc_archive 'CCDC 980753'
